MassBank Record: KO003612



 (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003612
RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID N028

CH$NAME: Noradrenaline CH$NAME: Arterenol CH$NAME: 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol CH$NAME: L-Noradrenaline CH$NAME: Norepinephrine CH$NAME: (-)-Norepinephrine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H11NO3 CH$EXACT_MASS: 169.07389 CH$SMILES: NC[C@H](O)c(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 CH$LINK: CAS 51-41-2 CH$LINK: CHEBI 18357 CH$LINK: CHEMPDB LNR CH$LINK: KEGG C00547 CH$LINK: NIKKAJI J9.223A CH$LINK: PUBCHEM SID:3828 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 170 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-11725b1d61843966aa7c PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 78.300 549505.5 62 79.200 24752.5 3 91.200 59406.0 7 93.100 64356.5 7 95.100 143564.5 16 102.400 24752.5 3 105.900 54455.5 6 106.800 99010.0 11 108.000 44554.5 5 108.900 49505.0 6 109.900 29703.0 3 120.600 34653.5 4 131.500 69307.0 8 134.900 435644.0 49 138.000 74257.5 8 152.200 8871296.0 999 153.300 7900998.0 890 170.300 2975250.5 335 171.700 19802.0 2 //